1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine

C12H16Cl2N2O2S — CID 62536952

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-7-9(13)4-5-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyXRHJREIGLBSJBA-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine

1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine (PubChem CID 62536952) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
PubChem CID62536952
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
SMILESCNC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H16Cl2N2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-7-9(13)4-5-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3
InChIKeyXRHJREIGLBSJBA-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979920
1-(2-chloro-5-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536392
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536582
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120715088
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-(4-chloronaphthalen-1-yl)sulfonyl-N-methylpiperidin-3-amine
CID 120715283
1-(3-chlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536748
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 2971952
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 120999245

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine (CID 62536952) is 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine is CNC1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
The InChIKey is XRHJREIGLBSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-15-10-3-2-6-16(8-10)19(17,18)12-7-9(13)4-5-11(12)14/h4-5,7,10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine?
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine has a molecular weight of 323.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine is sourced from PubChem (CID 62536952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).